| CAS Number | 1352318-04-7 |
| Catalog Number | AG007LHU(AGN-PC-0BGIBJ) |
| Chemical Name | 2-(4-Fluoro-3-methoxyphenyl)benzonitrile |
| IUPAC Name | 2-(4-fluoro-3-methoxyphenyl)benzonitrile |
| InChI | InChI=1S/C14H10FNO/c1-17-14-8-10(6-7-13(14)15)12-5-3-2-4-11(12)9-16/h2-8H,1H3 |
| InChI Key | WQFXAEHIDMMENG-UHFFFAOYSA-N |
| MDL Number | MFCD20529477 |
| Molecular Formula | C14H10FNO |
| Molecular Weight | 227.2337 |
| SMILES | COc1cc(ccc1F)c1ccccc1C#N |
| Synonyms | 2-(4-Fluoro-3-methoxyphenyl)benzonitrile,
1352318-04-7,
ACMC-209bye,
CTK8B0284,
DTXSID30718383,
ANW-19764,
MFCD20529477,
ZINC74937818,
AKOS026672775,
CJ-21793,
TC-108509,
Z9850,
B-8496,
4'-Fluoro-3'-methoxy[1,1'-biphenyl]-2-carbonitrile,
C14H10FNO,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.238g/mol |
| Monoisotopic Mass | 227.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number